2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide

C18H16FN3O2 — CID 72856220

IUPAC2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCOc1ccc(Cn2cc(-c3ccc(F)c(C(N)=O)c3)cn2)cc1
InChIInChI=1S/C18H16FN3O2/c1-24-15-5-2-12(3-6-15)10-22-11-14(9-21-22)13-4-7-17(19)16(8-13)18(20)23/h2-9,11H,10H2,1H3,(H2,20,23)
InChIKeyJOHPPDGLYAAOHU-UHFFFAOYSA-N
MW325.34 g/mol
LogP2.85
Rot. Bonds5

About 2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide

2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide (PubChem CID 72856220) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
PubChem CID72856220
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide
SMILESCOc1ccc(Cn2cc(-c3ccc(F)c(C(N)=O)c3)cn2)cc1
InChIInChI=1S/C18H16FN3O2/c1-24-15-5-2-12(3-6-15)10-22-11-14(9-21-22)13-4-7-17(19)16(8-13)18(20)23/h2-9,11H,10H2,1H3,(H2,20,23)
InChIKeyJOHPPDGLYAAOHU-UHFFFAOYSA-N
XLogP2.85
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The IUPAC name of 2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide (CID 72856220) is 2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The canonical SMILES for 2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide is COc1ccc(Cn2cc(-c3ccc(F)c(C(N)=O)c3)cn2)cc1.
What is the InChIKey of 2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
The InChIKey is JOHPPDGLYAAOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-24-15-5-2-12(3-6-15)10-22-11-14(9-21-22)13-4-7-17(19)16(8-13)18(20)23/h2-9,11H,10H2,1H3,(H2,20,23).
What are the key properties of 2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide?
2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide has a molecular weight of 325.34 g/mol, XLogP of 2.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[1-[(4-methoxyphenyl)methyl]pyrazol-4-yl]benzamide is sourced from PubChem (CID 72856220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).